Odd behavior of molpro -d

[Bradley Welch]

Dear all

I'm attempting to run molpro on the bridges2 cluster at psc. I am using the sockets 2022.3 binary. 

By default if I run a bare molpro -n 4 jobhere.inp scratch is written to the /tmp/ directory on a local node. But when I attempt to write to /local/ , the scratch on the local node instead the job writes to /tmp/. why might this be?

Bradley Welch 

[Andy May]

Dear Bradley,

What does the output file say? In the following example I run without -d and with '-d /host' and you can see this reflected in the output:

# molpro test.inp
# grep 'Working directory' test.out
 Working directory              : /tmp/molpro.hCwZlQnvCR/
# molpro -d /host test.inp
# grep 'Working directory' test.out
 Working directory              : /host/molpro.JmncUQTSvT/
# molpro --version        
2024.1

If you don't see this perhaps run with -v to get more verbose output from Molpro.

Best wishes,

Andy

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[Bradley Welch]

Andy

I'm thinking something isn't right with this cluster's local mount. I can use -d and get it to write to the /tmp/ space on a node, my home directory, and some network storage I have space on. 

-Brad